N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine

C11H24N2 — CID 115244264

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1(CN)CC1
InChIInChI=1S/C11H24N2/c1-10(2,3)6-7-13-9-11(8-12)4-5-11/h13H,4-9,12H2,1-3H3
InChIKeyOKFRYNKGGDLTJW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.75
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine (PubChem CID 115244264) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
PubChem CID115244264
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1(CN)CC1
InChIInChI=1S/C11H24N2/c1-10(2,3)6-7-13-9-11(8-12)4-5-11/h13H,4-9,12H2,1-3H3
InChIKeyOKFRYNKGGDLTJW-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 102672590
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-methylhexan-1-amine
CID 115453956
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990
1-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carbonitrile
CID 115242448
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
CID 115453904
2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114100611

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine (CID 115244264) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is OKFRYNKGGDLTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2,3)6-7-13-9-11(8-12)4-5-11/h13H,4-9,12H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115244264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).